- InChI
- InChI=1S/C16H17NO/c1-13(2)16(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
- InChI Key
- MCHBSCOEBHAUDR-UHFFFAOYSA-N
- Formula
- C16H17NO
- SMILES
- CC(C)C(=O)N(c1ccccc1)c1ccccc1
- Molecular Weight1
- 239.31
- CAS
- 69737-54-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5947 | Relay (1.0) Calculated Property | |
| ΔfG° | 288.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -11.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 200.330 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Tboil | 593.22 | K | Relay (1.0) Calculated Property |
| Tc | 878.90 | K | Relay (1.0) Calculated Property |
| Tfus | 357.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.72; 615.87] | J/mol×K | [684.71; 922.04] | 
|
| Cp,gas | 531.72 | J/mol×K | 684.71 | Joback Calculated Property |
| Cp,gas | 548.91 | J/mol×K | 724.26 | Joback Calculated Property |
| Cp,gas | 564.70 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 579.20 | J/mol×K | 803.37 | Joback Calculated Property |
| Cp,gas | 592.50 | J/mol×K | 842.93 | Joback Calculated Property |
| Cp,gas | 604.69 | J/mol×K | 882.48 | Joback Calculated Property |
| Cp,gas | 615.87 | J/mol×K | 922.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,n-diphenyl isobutyramide.
Sources
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